| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 9th, 2004 | 28 | Yes |
| Type pH range | xlogP | Des A‑Pol Apolar desolvation (kcal/mol) | Des Pol Polar desolvation (kcal/mol) | H Don H-bond donors | H Acc H-bond acceptors | Chg Net charge | tPSA (Ų) | MWT Molecular weight (g/mol) | RB Rotatable bonds | DL |
|---|---|---|---|---|---|---|---|---|---|---|
| Ref Reference (pH 7) | 3.71 | 9.83 | -29.97 | 2 | 6 | 1 | 74 | 397.886 | 6 | ↓ |
| Mid Mid (pH 6-8) | 3.71 | 10.88 | -30.48 | 3 | 6 | 1 | 77 | 397.886 | 6 | ↓ |
| Mid Mid (pH 6-8) | 3.71 | 9.36 | -15.23 | 1 | 6 | 0 | 73 | 396.878 | 6 | ↓ |
| Lo Low (pH 4.5-6) | 3.71 | 9.69 | -36.12 | 2 | 6 | 1 | 74 | 397.886 | 6 | ↓ |
